xxx 
Array
(
    [0] => Array
        (
            [id] => 864
            [topology] => 4<sup>3</sup>T138
            [link_rcsr] => 
            [in_col] => 3
            [transitivity] => -
            [space_group] => P6322
            [pearson] => hP36
            [cn] => 4
            [Year] => 2015
            [cn_sort] => 004-
            [topology_str] => 4<sup>3</sup>T138
            [sp_atoms] => 
            [caid] => 202
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 2.981
            [e_gap] => 
            [energy] => 1.240
            [bulk_mod] => 337.1
            [shear_mod] => 317.5
            [vicker_hard] => 54.7
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 865
            [topology] => 4<sup>3</sup>T138
            [link_rcsr] => 
            [in_col] => 3
            [transitivity] => -
            [space_group] => P6322
            [pearson] => hP36
            [cn] => 4
            [Year] => 2015
            [cn_sort] => 004-
            [topology_str] => 4<sup>3</sup>T138
            [sp_atoms] => 
            [caid] => 202
            [nn] => 1
            [name] => β-C
            [pressure] => 
            [density] => 1.53
            [e_gap] => 3.07
            [energy] => 
            [bulk_mod] => 521
            [shear_mod] => 
            [vicker_hard] => 71.8
            [ref_file] => /References/2015_PhysLettA_379_2116
            [publ_year] => 2015
            [ref] => 
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)
General information SACADA Check your allotrope Apps Cite this: Angew. Chem. Int. Ed. 2016, 55, 10962–10976 

SACADA Database Code: 202

Topology: 43T138

# of independent nodes (IN): 3
Transitivity: -
Space Group: P6322
Pearson: hP36
Coordination Number (CN): 4

Year: 2015

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Style:  Wireframe   Capped sticks   Spacefill   Ball&Sticks
Labels:  No Labels   All Atoms
Translations:  {1x1x1}   {2x2x2}  {3x3x3}
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Data

Name

Pressure, GPa

Density, g/cm³

Gap, eV

Relative energy, eV/atom

Bulk, GPa

Shear, GPa

Vickers, GPa

Refs
43T138 (SACADA #202)2.9811.240337.1317.554.7SACADA¹
β-C1.533.0752171.8doi: 10.1016/j.physleta.2015.06.037 
Elasticity tensor (kBar)¹

7484.79281829.8397531.4402-0.00000.0000-0.0000
1829.83977484.7928531.4402-0.0000-0.00000.0000
531.4402531.44029608.7555-0.00000.00000.0000
-0.0000-0.0000-0.00002827.4766-0.0000-0.0000
0.0000-0.00000.0000-0.00003019.1262-0.0000
0.0000-0.00000.0000-0.0000-0.00003019.1262

¹ We apply the density functional theory (DFT) approach by using the Vienna Ab Initio Simulation Package (VASP) to calculate the total energy and properties of carbon allotropes.

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© 2016 – 2025 SCTMS  Team References support@sacada.info Cite this: Angew. Chem. Int. Ed. 2016, 55, 10962–10976 
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